Título:	Charge localization and hopping in a topologically engineered graphene nanoribbon
Autor(es):	Pereira Júnior, Marcelo Lopes Oliveira Neto, Pedro Henrique de Silva Filho, Demétrio Antônio da Sousa, Leonardo Evaristo de Silva, Geraldo Magela e Ribeiro Júnior, Luiz Antônio
Assunto:	Nanofitas de grafeno Transporte de carga
Data de publicação:	4-Mar-2021
Editora:	Springer Nature
Referência:	PEREIRA JÚNIOR, Marcelo Lopes et al. Charge localization and hopping in a topologically engineered graphene nanoribbon. Scientific Reports, v. 11, 5142, 2021. DOI: https://doi.org/10.1038/s41598-021-84626-7. Disponível em: https://www.nature.com/articles/s41598-021-84626-7. Acesso em: 07 junho 2021.
Abstract:	Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR’s topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system’s topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material.
Licença:	(CC BY) Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. Te images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.
DOI:	https://doi.org/10.1038/s41598-021-84626-7
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